(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride

C23H35ClN2O2 — CID 120814897

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride
SMILESCOc1cccc(CC2(C(=O)N3CCC(N)C(C)(C)C3)CC3CCC2C3)c1.Cl
InChIInChI=1S/C23H34N2O2.ClH/c1-22(2)15-25(10-9-20(22)24)21(26)23(14-17-7-8-18(23)11-17)13-16-5-4-6-19(12-16)27-3;/h4-6,12,17-18,20H,7-11,13-15,24H2,1-3H3;1H
InChIKeySVNWGGCMAGHIRT-UHFFFAOYSA-N
MW407.00 g/mol
LogP4.05
Rot. Bonds4

About (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride (PubChem CID 120814897) has the molecular formula C23H35ClN2O2 and a molecular weight of 407.00 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride
PubChem CID120814897
Molecular FormulaC23H35ClN2O2
Molecular Weight407.00 g/mol
Exact Mass406.24
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride
SMILESCOc1cccc(CC2(C(=O)N3CCC(N)C(C)(C)C3)CC3CCC2C3)c1.Cl
InChIInChI=1S/C23H34N2O2.ClH/c1-22(2)15-25(10-9-20(22)24)21(26)23(14-17-7-8-18(23)11-17)13-16-5-4-6-19(12-16)27-3;/h4-6,12,17-18,20H,7-11,13-15,24H2,1-3H3;1H
InChIKeySVNWGGCMAGHIRT-UHFFFAOYSA-N
XLogP4.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride
CID 119380637
[(1S,2S,4S)-2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-morpholin-4-ylmethanone
CID 98790903
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119498452
(2S)-2-[[2-[(3-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carbonyl]amino]propanoic acid
CID 119942718
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-benzyl-2-bicyclo[2.2.1]heptanyl)methanone
CID 120807139
(3R,4S)-4-hydroxy-3-[(3-methoxyphenyl)methyl]-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 164698328
2-[(3-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62738506
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]ethanone;hydrochloride
CID 120819154
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 120774634
(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98220074
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-benzyl-2-bicyclo[2.2.1]heptanyl)methanone
CID 120655774
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 120815207

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride (CID 120814897) is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride is COc1cccc(CC2(C(=O)N3CCC(N)C(C)(C)C3)CC3CCC2C3)c1.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride?
The InChIKey is SVNWGGCMAGHIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2.ClH/c1-22(2)15-25(10-9-20(22)24)21(26)23(14-17-7-8-18(23)11-17)13-16-5-4-6-19(12-16)27-3;/h4-6,12,17-18,20H,7-11,13-15,24H2,1-3H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride has a molecular weight of 407.00 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride is sourced from PubChem (CID 120814897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).